What we do

The Molecular Modelling Group studies molecular interactions using modelling techniques such as homology modelling, molecular dynamics, docking and free energy simulations. Our main activity consists in developing and applying methods for computer-aided protein engineering and drug design. Notably, we develop novel inhibitors of important targets for cancer therapy and design optimized proteins, such as T-cell receptors, for cancer immunotherapy. We develop and maintain web tools for drug design, such as SwissDock, SwissTargetPrediction and SwissADME. We also run the Protein Modelling Facility of the University of Lausanne.

Find out more about the Group’s activities

Main publications 2020

Vaishali P W et al.
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies
Briefings in Bioinformatics, 10.1093/bib/bbaa362

Orengo C et al.
A community proposal to integrate structural bioinformatics activities in ELIXIR
F1000 Research, 10.12688/f1000research.20559.1

Michielin O et al.
Evolving impact of long-term survival results on metastatic melanoma treatment
J Immunother Cancer, 10.1136/jitc-2020-000948